1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone

C18H23N5O3 — CID 16765364

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone
SMILESC=CCOc1ccc(-c2nnn(CC(=O)N3CC(C)OC(C)C3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-4-9-25-16-7-5-15(6-8-16)18-19-21-23(20-18)12-17(24)22-10-13(2)26-14(3)11-22/h4-8,13-14H,1,9-12H2,2-3H3
InChIKeyNLYTXHYZMVUDLT-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.54
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone (PubChem CID 16765364) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone
PubChem CID16765364
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone
SMILESC=CCOc1ccc(-c2nnn(CC(=O)N3CC(C)OC(C)C3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-4-9-25-16-7-5-15(6-8-16)18-19-21-23(20-18)12-17(24)22-10-13(2)26-14(3)11-22/h4-8,13-14H,1,9-12H2,2-3H3
InChIKeyNLYTXHYZMVUDLT-UHFFFAOYSA-N
XLogP1.54
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 18524845
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone
CID 1136535
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]ethanone
CID 119055388
(E)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 9468250
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 55570142

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone (CID 16765364) is 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone is C=CCOc1ccc(-c2nnn(CC(=O)N3CC(C)OC(C)C3)n2)cc1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone?
The InChIKey is NLYTXHYZMVUDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-9-25-16-7-5-15(6-8-16)18-19-21-23(20-18)12-17(24)22-10-13(2)26-14(3)11-22/h4-8,13-14H,1,9-12H2,2-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone has a molecular weight of 357.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 16765364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).